CID 56936132

3z,6z,9z-pentacosatriene

Structural Information

Molecular Formula
C25H46
SMILES
CCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C25H46/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19H,3-4,6,8-10,12,14-16,18,20-25H2,1-2H3/b7-5-,13-11-,19-17-
InChIKey
AEARNXGXBHBSIY-JTBMWNAQSA-N
Compound name
(3Z,6Z,9Z)-pentacosa-3,6,9-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.35995 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.36723 199.6
[M+Na]+ 369.34917 200.2
[M-H]- 345.35267 196.6
[M+NH4]+ 364.39377 213.4
[M+K]+ 385.32311 193.2
[M+H-H2O]+ 329.35721 192.2
[M+HCOO]- 391.35815 217.8
[M+CH3COO]- 405.37380 220.1
[M+Na-2H]- 367.33462 196.8
[M]+ 346.35940 205.9
[M]- 346.36050 205.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.